Basic information
- CAS
7195-27-9- Standard SMILES
CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1- InChIKey
SMNOERSLNYGGOU-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O5S2
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.0423918
Overview
Mefruside is an organic molecular entity.
Names & identifiers
- Preferred name
- Mefruside
- IUPAC
- 4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide
- English name
- mefruside
- Molecular formula
- C13H19ClN2O5S2
- Molecular weight
- 382.88
Names & synonyms
mefruside7195-27-9BaycaronMefrusidaMefrusidumBAY 1500DTXSID0048844BAY-1500X1NS9SNS921,3-Benzenedisulfonamide, 4-chloro-N1-methyl-N1-((tetrahydro-2-methyl-2-furanyl)methyl)-DTXCID7028770RefChem:389109
Show more names
Valine Impurity 35mefruside USP/EP/BPMefruside 1.0 mg/ml in Methanol
C03BA054-chloro-N1-methyl-N1-((2-methyloxolan-2-yl)methyl)benzene-1,3-disulfonamide230-562-44-Chloro-N-methyl-N-((2RS)-2-methyltetrahydrofuran-2-ylmethyl)-3-sulfamoylbenzenesulfonamideMefrusidFBA 1500FDA 1902B 1500
Database identifiers
- CAS
7195-27-9- PubChem CID
- 4047
- DTXSID
DTXSID0048844- ChEMBL
CHEMBL2105131- ChEBI
CHEBI:31809- UNII
- X1NS9SNS92
- EC Number
- 230-562-4
- Nikkaji
- J28.146H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 628
Experimental & physicochemical properties
DrugsPharmaceuticals
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 149.5 °C · 149.5°C
- Boiling point
- 565.2 · 565.2±60.0 °C(Predicted)
- Density
- 1.315 · 1.3150 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.26 · 9.26±0.60(Predicted)
- color
- White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 1 NS9SNS92 · X1NS9SNS92
- ATC code
- 3 BA05 · C03BA05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Toxicity
- LD50 oral in rabbit: > 3gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H373-H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationAgents that promote the excretion of urine through their effects on kidney function.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals
Applications
UsesMefruside is a diuretic used for the treatment of edema and hypertension.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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